CID 34942

6-(chloromethyl)-2-n-phenyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H10ClN5
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl
InChI
InChI=1S/C10H10ClN5/c11-6-8-14-9(12)16-10(15-8)13-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16)
InChIKey
ZEXYPLRLARKYLF-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

93
Patents

235.06247 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06975 149.8
[M+Na]+ 258.05169 159.1
[M-H]- 234.05519 152.1
[M+NH4]+ 253.09629 163.5
[M+K]+ 274.02563 153.1
[M+H-H2O]+ 218.05973 140.6
[M+HCOO]- 280.06067 168.2
[M+CH3COO]- 294.07632 161.3
[M+Na-2H]- 256.03714 158.1
[M]+ 235.06192 149.4
[M]- 235.06302 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe